6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H13ClN6 — CID 82748227

IUPAC6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1cccnc1CNc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C13H13ClN6/c1-2-8-4-3-5-15-10(8)7-16-11-9-6-17-20-12(9)19-13(14)18-11/h3-6H,2,7H2,1H3,(H2,16,17,18,19,20)
InChIKeyITRBTOCGWZJDEF-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.58
Rot. Bonds4

About 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 82748227) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID82748227
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1cccnc1CNc1nc(Cl)nc2[nH]ncc12
InChIInChI=1S/C13H13ClN6/c1-2-8-4-3-5-15-10(8)7-16-11-9-6-17-20-12(9)19-13(14)18-11/h3-6H,2,7H2,1H3,(H2,16,17,18,19,20)
InChIKeyITRBTOCGWZJDEF-UHFFFAOYSA-N
XLogP2.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 82748227) is 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCc1cccnc1CNc1nc(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ITRBTOCGWZJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c1-2-8-4-3-5-15-10(8)7-16-11-9-6-17-20-12(9)19-13(14)18-11/h3-6H,2,7H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82748227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).